SCHEMBL18518722

SCHEMBL18518722

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccc6ccccc6c5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 1/20 0.32
▸ TUBB8 Q3ZCM7 1/20 0.32
▸ TUBA3E Q6PEY2 1/20 0.32
▸ TUBA1A Q71U36 1/20 0.32
▸ TUBA1C Q9BQE3 1/20 0.32
▸ TUBB6 Q9BUF5 1/20 0.32
▸ TUBB2B Q9BVA1 1/20 0.32
▸ TUBB1 Q9H4B7 1/20 0.32
▸ AKT1 P31749 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18518237 0.99 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18518870 0.95 — —
SCHEMBL23231481 0.94 TUBB4A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18518907 0.93 MEN1 (0.32) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL18518752 0.93 ATM (0.31) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL18518913 0.92 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18518071 0.92 KDM4E (0.32) KDM4E
SCHEMBL18518232 0.92 KDM4E (0.34) KDM4E
SCHEMBL21446685 0.92 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18518914 0.92 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3335254-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-04-08 — — EP disclosed
WO-2017025164-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-16 — — WO disclosed
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